N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide

C23H15FN4O — CID 134276293

IUPACN-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide
SMILESN=C=CC(=O)Nc1cccc(-c2cc(-c3cccc(F)c3)cc3cncnc23)c1
InChIInChI=1S/C23H15FN4O/c24-19-5-1-3-15(10-19)17-9-18-13-26-14-27-23(18)21(12-17)16-4-2-6-20(11-16)28-22(29)7-8-25/h1-7,9-14,25H,(H,28,29)
InChIKeyPKAKKQOJVGMXFE-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.85
Rot. Bonds4

About N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide

N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide (PubChem CID 134276293) has the molecular formula C23H15FN4O and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide
PubChem CID134276293
Molecular FormulaC23H15FN4O
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC NameN-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide
SMILESN=C=CC(=O)Nc1cccc(-c2cc(-c3cccc(F)c3)cc3cncnc23)c1
InChIInChI=1S/C23H15FN4O/c24-19-5-1-3-15(10-19)17-9-18-13-26-14-27-23(18)21(12-17)16-4-2-6-20(11-16)28-22(29)7-8-25/h1-7,9-14,25H,(H,28,29)
InChIKeyPKAKKQOJVGMXFE-UHFFFAOYSA-N
XLogP4.85
TPSA78.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264823
4-[8-[3-(prop-2-enoylamino)phenyl]quinazolin-6-yl]benzoic acid
CID 146637171
N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265846
N-[3-[6-(3-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264800
4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide
CID 167082826
N-[3-(2,6-diphenylquinazolin-8-yl)phenyl]prop-2-enamide
CID 134264530
4-[8-[3-[[(E)-but-2-enoyl]amino]phenyl]quinazolin-6-yl]-N-(4-cyclopropyl-2-pyridinyl)-2-fluorobenzamide
CID 166829161
methane;N-[3-[6-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 142291035
N-[3-[2-amino-6-(3-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265044
N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide
CID 162527688
N-[3-[2-amino-6-(2-isocyanophenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 140850723
N-[3-[2-amino-6-(2-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265414

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide?
The IUPAC name of N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide (CID 134276293) is N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide.
What is the SMILES notation for N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide?
The canonical SMILES for N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide is N=C=CC(=O)Nc1cccc(-c2cc(-c3cccc(F)c3)cc3cncnc23)c1.
What is the InChIKey of N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide?
The InChIKey is PKAKKQOJVGMXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O/c24-19-5-1-3-15(10-19)17-9-18-13-26-14-27-23(18)21(12-17)16-4-2-6-20(11-16)28-22(29)7-8-25/h1-7,9-14,25H,(H,28,29).
What are the key properties of N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide?
N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide has a molecular weight of 382.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide is sourced from PubChem (CID 134276293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).